(6E)-6-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-benzylsulfanyl-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
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![(6E)-6-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-benzylsulfanyl-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/795502a671e440beba7117af620b424c.png "(6E)-6-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-benzylsulfanyl-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one")
(6E)-6-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-benzylsulfanyl-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
structure -
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CAS No:
1164555-92-3
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Formula:
C26H23N5OS2
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Chemical Name:
(6E)-6-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-benzylsulfanyl-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
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Synonyms:
MLS000558882;CHEMBL1569477;HMS2437M13;ZINC13477879;AKOS032394935;SMR000149198;(E)-6-((1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-3-(benzylthio)-5-imino-5H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7(6H)-one;1164555-92-3;6-[1-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-meth-(E)-ylidene]-3-benzylsulfanyl-5-imino-5,6-dihydro-[1,2, 4]thiadiazolo[4,5-a]pyrimidin-7-one
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CAS No:
(6E)-6-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-benzylsulfanyl-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one Basic Attributes
485.6 g/mol
485.13440272 g/mol
Computed Properties
Molecular Weight:485.6
XLogP3:5.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:485.13440272
Monoisotopic Mass:485.13440272
Topological Polar Surface Area:124
Heavy Atom Count:34
Complexity:888
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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